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18 10 26 16 45

QCISD/cc-pVTZ for rCCl

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.090 are in the -0.090 bin.

histogram chart 20
histogram chart 15 histogram chart
histogram chart 10 histogram chart
histogram chart 5 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.090 -0.080 -0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CHCl3 Chloroform-0.081
Most positive difference CFCl chlorofluoromethylene0.039

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CHCl3 Chloroform 1.762 -0.081
CH3Cl Methyl chloride 1.785 0.001
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.001
CH2ClCHO chloroacetaldehyde 1.782 0.003
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.004
C6H4Cl2 1,3-dichlorobenzene 1.736 0.004
CCl4 Carbon tetrachloride 1.767 0.005
ClCOClCO Oxalyl chloride 1.744 0.006
CH2Cl2 Methylene chloride 1.767 0.006
CF3Cl Methane, chlorotrifluoro- 1.752 0.006
CBrCl3 Methane, bromotrichloro- 1.765 0.007
HCCl Chloromethylene 1.696 0.008
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.009
CH2ClCCCl 1,3-dichloropropyne 1.638 0.009
CH3CH2Cl Ethyl chloride 1.789 0.010
C6H4Cl2 1,4-dichlorobenzene 1.729 0.011
HCCCl Chloroacetylene 1.637 0.012
CH2Cl chloromethyl radical 1.691 0.012
C2H3Cl Ethene, chloro- 1.726 0.012
CH3COCl Acetyl Chloride 1.798 0.013
CF2CCl2 difluorodichloroethylene 1.706 0.013
ClCN chlorocyanogen 1.629 0.013
CCl2O Phosgene 1.737 0.013
CH3CHClCH3 Propane, 2-chloro- 1.798 0.014
CH2FCl fluorochloromethane 1.762 0.015
CH2BrCl Methane, bromochloro- 1.755 0.015
CCl carbon monochloride 1.649 0.016
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.018
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.018
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.018
CHFClBr fluorochlorobromomethane 1.745 0.019
CH2ClCCCl 1,3-dichloropropyne 1.779 0.019
CF2Cl2 difluorodichloromethane 1.744 0.019
C3H5Cl 1-chloro-1-propene(E) 1.728 0.021
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.024
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.027
C2Cl2 dichloroacetylene 1.612 0.036
CFCl chlorofluoromethylene 1.714 0.039